Home Halogens 3-tert-butyl-5-(trichloromethyl)-1,2,4-oxadiazole

3-tert-butyl-5-(trichloromethyl)-1,2,4-oxadiazole

CAS No.:
1202-15-9
Catalog Number:
AG01AHAL
Molecular Formula:
C7H9Cl3N2O
Molecular Weight:
243.5182
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Product Description
Catalog Number:
AG01AHAL
Chemical Name:
3-tert-butyl-5-(trichloromethyl)-1,2,4-oxadiazole
CAS Number:
1202-15-9
Molecular Formula:
C7H9Cl3N2O
Molecular Weight:
243.5182
MDL Number:
MFCD18838675
IUPAC Name:
3-tert-butyl-5-(trichloromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C7H9Cl3N2O/c1-6(2,3)4-11-5(13-12-4)7(8,9)10/h1-3H3
InChI Key:
KRRACYOJIXTBRN-UHFFFAOYSA-N
SMILES:
CC(c1noc(n1)C(Cl)(Cl)Cl)(C)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.978g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.512g/mol
Monoisotopic Mass:
241.978g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties